1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine

C10H15N5O — CID 23274273

IUPAC1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CC=C)CC=C)cc(N)n1O
InChIInChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h3-4,7,12,16H,1-2,5-6,11H2/b12-10+
InChIKeyOCJJRCXFCPZDKV-ZRDIBKRKSA-N
MW221.26 g/mol
LogP0.36
Rot. Bonds5

About 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine

1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine (PubChem CID 23274273) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine
PubChem CID23274273
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CC=C)CC=C)cc(N)n1O
InChIInChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h3-4,7,12,16H,1-2,5-6,11H2/b12-10+
InChIKeyOCJJRCXFCPZDKV-ZRDIBKRKSA-N
XLogP0.36
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine?
The IUPAC name of 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine (CID 23274273) is 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine?
The canonical SMILES for 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine is [H]/N=c1\nc(N(CC=C)CC=C)cc(N)n1O.
What is the InChIKey of 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine?
The InChIKey is OCJJRCXFCPZDKV-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h3-4,7,12,16H,1-2,5-6,11H2/b12-10+.
What are the key properties of 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine?
1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine has a molecular weight of 221.26 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-imino-4-N,4-N-bis(prop-2-enyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 23274273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).