2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine

C10H16N6O — CID 175118593

IUPAC2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine
SMILESNC(N)=NCCCC(N)C(=O)c1ncccn1
InChIInChI=1S/C10H16N6O/c11-7(3-1-4-16-10(12)13)8(17)9-14-5-2-6-15-9/h2,5-7H,1,3-4,11H2,(H4,12,13,16)
InChIKeyVLOUVSLAMOBMQH-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.96
Rot. Bonds6

About 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine

2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine (PubChem CID 175118593) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine.

Molecular Properties

Compound Name2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine
PubChem CID175118593
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine
SMILESNC(N)=NCCCC(N)C(=O)c1ncccn1
InChIInChI=1S/C10H16N6O/c11-7(3-1-4-16-10(12)13)8(17)9-14-5-2-6-15-9/h2,5-7H,1,3-4,11H2,(H4,12,13,16)
InChIKeyVLOUVSLAMOBMQH-UHFFFAOYSA-N
XLogP-0.96
TPSA133.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
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

sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine
CID 46937165
1,3-thiazol-2-yl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 175542389
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl fluoride
CID 54568309
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine?
The IUPAC name of 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine (CID 175118593) is 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine.
What is the SMILES notation for 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine?
The canonical SMILES for 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine is NC(N)=NCCCC(N)C(=O)c1ncccn1.
What is the InChIKey of 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine?
The InChIKey is VLOUVSLAMOBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c11-7(3-1-4-16-10(12)13)8(17)9-14-5-2-6-15-9/h2,5-7H,1,3-4,11H2,(H4,12,13,16).
What are the key properties of 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine?
2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine has a molecular weight of 236.28 g/mol, XLogP of -0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-oxo-5-pyrimidin-2-ylpentyl)guanidine is sourced from PubChem (CID 175118593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).