(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide

C10H18N8O2 — CID 170132858

IUPAC(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCC[C@H](N)C(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C10H18N8O2/c11-5(2-1-3-15-10(13)14)8(19)18-6-7(12)16-4-17-9(6)20/h4-5H,1-3,11H2,(H,18,19)(H4,13,14,15)(H3,12,16,17,20)/t5-/m0/s1
InChIKeyAAVXAQDTGOMEGA-YFKPBYRVSA-N
MW282.31 g/mol
LogP-2.33
Rot. Bonds6

About (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide

(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide (PubChem CID 170132858) has the molecular formula C10H18N8O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
PubChem CID170132858
Molecular FormulaC10H18N8O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide
SMILESNC(N)=NCCC[C@H](N)C(=O)Nc1c(N)nc[nH]c1=O
InChIInChI=1S/C10H18N8O2/c11-5(2-1-3-15-10(13)14)8(19)18-6-7(12)16-4-17-9(6)20/h4-5H,1-3,11H2,(H,18,19)(H4,13,14,15)(H3,12,16,17,20)/t5-/m0/s1
InChIKeyAAVXAQDTGOMEGA-YFKPBYRVSA-N
XLogP-2.33
TPSA191.29 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.31
LogP ≤ 5-2.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The IUPAC name of (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide (CID 170132858) is (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide is NC(N)=NCCC[C@H](N)C(=O)Nc1c(N)nc[nH]c1=O.
What is the InChIKey of (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
The InChIKey is AAVXAQDTGOMEGA-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H18N8O2/c11-5(2-1-3-15-10(13)14)8(19)18-6-7(12)16-4-17-9(6)20/h4-5H,1-3,11H2,(H,18,19)(H4,13,14,15)(H3,12,16,17,20)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide?
(2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide has a molecular weight of 282.31 g/mol, XLogP of -2.33, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-5-(diaminomethylideneamino)pentanamide is sourced from PubChem (CID 170132858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).