5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

C19H30N4O2 — CID 95549911

IUPAC5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-13(2)17-12-23(8-4-7-22(17)11-15-5-6-15)18(24)9-16-10-20-14(3)21-19(16)25/h10,13,15,17H,4-9,11-12H2,1-3H3,(H,20,21,25)/t17-/m0/s1
InChIKeyHQBIHWDBLOSNSY-KRWDZBQOSA-N
MW346.48 g/mol
LogP1.59
Rot. Bonds5

About 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one

5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 95549911) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID95549911
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(CC(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1
InChIInChI=1S/C19H30N4O2/c1-13(2)17-12-23(8-4-7-22(17)11-15-5-6-15)18(24)9-16-10-20-14(3)21-19(16)25/h10,13,15,17H,4-9,11-12H2,1-3H3,(H,20,21,25)/t17-/m0/s1
InChIKeyHQBIHWDBLOSNSY-KRWDZBQOSA-N
XLogP1.59
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

5-{2-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-2-oxoethyl}-2,6-dimethyl-4(3H)-pyrimidinone
CID 136185569
5-{[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]carbonyl}-2-isopropyl-4(3H)-pyrimidinone
CID 56874033
5-{2-[4-(cyclopropylmethyl)-3-isopropyl-1,4-diazepan-1-yl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 56869684
4-(Cyclopropylmethyl)-3-isopropyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4-diazepan-5-one
CID 56880603
5-{2-[(3R*,4S*)-3-(dimethylamino)-4-isopropyl-1-pyrrolidinyl]-2-oxoethyl}-2-methyl-4(3H)-pyrimidinone
CID 72851740
5-(1-Aminopropan-2-yl)-3-cyclopropyl-2-methylpyrimidin-4-one
CID 83883299
5-[2-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 95549912
5-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95553811
5-[(3S)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepane-1-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 95553812
(3R)-4-(cyclopropylmethyl)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95561112
(3S)-4-(cyclopropylmethyl)-1-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95561114
5-[2-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one
CID 133134147

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one (CID 95549911) is 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is Cc1ncc(CC(=O)N2CCCN(CC3CC3)[C@H](C(C)C)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HQBIHWDBLOSNSY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-13(2)17-12-23(8-4-7-22(17)11-15-5-6-15)18(24)9-16-10-20-14(3)21-19(16)25/h10,13,15,17H,4-9,11-12H2,1-3H3,(H,20,21,25)/t17-/m0/s1.
What are the key properties of 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one?
5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 346.48 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 95549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).