3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

C9H15N5O2 — CID 136914208

IUPAC3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyDFCCVXCMIQYDHJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.08
Rot. Bonds4

About 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide

3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (PubChem CID 136914208) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
PubChem CID136914208
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16)
InChIKeyDFCCVXCMIQYDHJ-UHFFFAOYSA-N
XLogP-1.08
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pepteridine A
CID 146684612
5-Amino-6-(ethylamino)-4(3h)-pyrimidinone
CID 135786481
Pyrimidine, 4,5-bisethylamino-6-hydroxy-
CID 135814991
Pyrimidine, 5-diethylamino-4-ethylamino-6-hydroxy-
CID 171384170
5-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 137009784
5-amino-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 135786483
9-propyl-7,8-dihydro-1H-purin-6-one
CID 136410919
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513
N-(2-aminoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136436514
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-(3-aminopropyl)propanamide
CID 136436537
N-(2-acetamidoethyl)-3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)propanamide
CID 136445991
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-ethylpropanamide
CID 136477481

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide (CID 136914208) is 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nc[nH]c(=O)c1N.
What is the InChIKey of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
The InChIKey is DFCCVXCMIQYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-11-6(15)3-4-14(2)8-7(10)9(16)13-5-12-8/h5H,3-4,10H2,1-2H3,(H,11,15)(H,12,13,16).
What are the key properties of 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide?
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide has a molecular weight of 225.25 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 136914208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).