2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

C14H21N3O2 — CID 136756216

IUPAC2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-19-7-6-14(4-5-14)9-15-11-8-12(18)17-13(16-11)10-2-3-10/h8,10H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeySGJLNTSITGBNQD-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.88
Rot. Bonds7

About 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136756216) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136756216
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-19-7-6-14(4-5-14)9-15-11-8-12(18)17-13(16-11)10-2-3-10/h8,10H,2-7,9H2,1H3,(H2,15,16,17,18)
InChIKeySGJLNTSITGBNQD-UHFFFAOYSA-N
XLogP1.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136723588
4-[(4-methoxy-2,2-dimethylbutyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723591
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-ethyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723598
4-[(4-methyloxan-4-yl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136723601
2-cyclopropyl-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723602
2-cyclopropyl-4-[1-(oxan-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 136738998
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136756214
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219
2-cyclopropyl-4-[3-(cyclopropylmethoxy)propylamino]-1H-pyrimidin-6-one
CID 136764995
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845
2-cyclopropyl-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786673

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one (CID 136756216) is 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is COCCC1(CNc2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is SGJLNTSITGBNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-7-6-14(4-5-14)9-15-11-8-12(18)17-13(16-11)10-2-3-10/h8,10H,2-7,9H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 263.34 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136756216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).