5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

C9H15N5O2 — CID 136880884

IUPAC5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c10-6(15)3-1-2-4-12-8-7(11)9(16)14-5-13-8/h5H,1-4,11H2,(H2,10,15)(H2,12,13,14,16)
InChIKeyBORIYJKHXBOQFG-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.58
Rot. Bonds6

About 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide

5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (PubChem CID 136880884) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
PubChem CID136880884
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C9H15N5O2/c10-6(15)3-1-2-4-12-8-7(11)9(16)14-5-13-8/h5H,1-4,11H2,(H2,10,15)(H2,12,13,14,16)
InChIKeyBORIYJKHXBOQFG-UHFFFAOYSA-N
XLogP-0.58
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 137016592
N-[6-oxo-4-(pentanoylamino)-1H-pyrimidin-5-yl]pentanamide
CID 135802458
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)pentanamide
CID 135802459
2,5-diamino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136418258
4,5-bis(pentylamino)-1H-pyrimidin-6-one
CID 136423435
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 169130894
(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
CID 170132858
1-[4-(dimethylamino)-6-oxo-1H-pyrimidin-5-yl]-3-pentylurea
CID 135453909
5-amino-4-(cyclopentylamino)-1H-pyrimidin-6-one
CID 135575723
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
5-amino-4-(butylamino)-1H-pyrimidin-6-one
CID 135786480
5-amino-4-(5-aminopentylamino)-1H-pyrimidin-6-one
CID 136689854

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide (CID 136880884) is 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is NC(=O)CCCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
The InChIKey is BORIYJKHXBOQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c10-6(15)3-1-2-4-12-8-7(11)9(16)14-5-13-8/h5H,1-4,11H2,(H2,10,15)(H2,12,13,14,16).
What are the key properties of 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide?
5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide has a molecular weight of 225.25 g/mol, XLogP of -0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]pentanamide is sourced from PubChem (CID 136880884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).