N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide

C10H17N7O2 — CID 169130894

IUPACN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C10H17N7O2/c11-8-7(9(19)16-5-15-8)17-6(18)3-1-2-4-14-10(12)13/h5H,1-4H2,(H,17,18)(H4,12,13,14)(H3,11,15,16,19)
InChIKeyARNIAQMCBZOEIG-UHFFFAOYSA-N
MW267.29 g/mol
LogP-1.27
Rot. Bonds6

About N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide

N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide (PubChem CID 169130894) has the molecular formula C10H17N7O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
PubChem CID169130894
Molecular FormulaC10H17N7O2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCCCC(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C10H17N7O2/c11-8-7(9(19)16-5-15-8)17-6(18)3-1-2-4-14-10(12)13/h5H,1-4H2,(H,17,18)(H4,12,13,14)(H3,11,15,16,19)
InChIKeyARNIAQMCBZOEIG-UHFFFAOYSA-N
XLogP-1.27
TPSA165.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)octadec-9-enamide
CID 137048002
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-2-methylpropanamide
CID 135741768
5-(diaminomethylideneamino)-N-methylpentanamide
CID 122591455
N-[4-(butanoylamino)-6-oxo-1H-pyrimidin-5-yl]butanamide
CID 135802457
5-(diaminomethylideneamino)-N-ethylpentanamide
CID 123296097
5-(diaminomethylideneamino)-N-(3-formyl-4-methoxyphenyl)pentanamide
CID 131994630
2-(6-oxooct-7-enyl)guanidine
CID 58133145
N-[5-(diaminomethylideneamino)pentyl]docosanamide
CID 135363931
2-(5-oxoheptyl)guanidine
CID 89070451
3-[[3-[6-(diaminomethylideneamino)hexanoylamino]benzoyl]amino]propanoic acid
CID 19996407
2-N,4-N-bis[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]-5-ethylpyridine-2,4-dicarboxamide
CID 123306640
4-N,6-N-bis[2-(2-aminoethylsulfanyl)-3-[5-(diaminomethylideneamino)pentanoylamino]phenyl]pyrimidine-4,6-dicarboxamide
CID 44632622

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide (CID 169130894) is N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide is NC(N)=NCCCCC(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The InChIKey is ARNIAQMCBZOEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7O2/c11-8-7(9(19)16-5-15-8)17-6(18)3-1-2-4-14-10(12)13/h5H,1-4H2,(H,17,18)(H4,12,13,14)(H3,11,15,16,19).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide has a molecular weight of 267.29 g/mol, XLogP of -1.27, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 169130894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).