1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine

C10H19N5O — CID 23274327

IUPAC1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CCC)CCC)cc(N)n1O
InChIInChI=1S/C10H19N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h7,12,16H,3-6,11H2,1-2H3/b12-10+
InChIKeyYXNLVJOPSBFTLN-ZRDIBKRKSA-N
MW225.30 g/mol
LogP0.81
Rot. Bonds5

About 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine

1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine (PubChem CID 23274327) has the molecular formula C10H19N5O and a molecular weight of 225.30 g/mol. Its IUPAC name is 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine
PubChem CID23274327
Molecular FormulaC10H19N5O
Molecular Weight225.30 g/mol
Exact Mass225.16
IUPAC Name1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine
SMILES[H]/N=c1\nc(N(CCC)CCC)cc(N)n1O
InChIInChI=1S/C10H19N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h7,12,16H,3-6,11H2,1-2H3/b12-10+
InChIKeyYXNLVJOPSBFTLN-ZRDIBKRKSA-N
XLogP0.81
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Minoxidil
CID 4201
Triaminodil
CID 15556995
6-Amino-2-imino-4-(4-methylpiperazin-1-yl)pyrimidin-1(2H)-ol--hydrogen chloride (1/2)
CID 3068563
3-Hydroxy-2-imino-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 3068564
4-N,4-N-diethyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
CID 12436753
4-N,4-N-dibutyl-1-hydroxy-2-iminopyrimidine-4,6-diamine
CID 15556993
2-Methyl-4-amino-6-piperidinopyrimidine 3-oxide
CID 15734618
2-Methyl-4-amino-6-dimethylaminopyrimidine 3-oxide
CID 15734619
N,N-diethyl-1-hydroxy-6-imino-2-methylpyrimidin-4-amine
CID 15734620
3-Hydroxy-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-imine
CID 15734622
Minoxidil hydrochloride
CID 16116765
2-Amino-4-methylamino-6-pyrrolidinopyrimidine 3-oxide
CID 19073883

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The IUPAC name of 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine (CID 23274327) is 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine.
What is the SMILES notation for 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The canonical SMILES for 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine is [H]/N=c1\nc(N(CCC)CCC)cc(N)n1O.
What is the InChIKey of 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine?
The InChIKey is YXNLVJOPSBFTLN-ZRDIBKRKSA-N. The full InChI is InChI=1S/C10H19N5O/c1-3-5-14(6-4-2)9-7-8(11)15(16)10(12)13-9/h7,12,16H,3-6,11H2,1-2H3/b12-10+.
What are the key properties of 1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine?
1-hydroxy-2-imino-4-N,4-N-dipropylpyrimidine-4,6-diamine has a molecular weight of 225.30 g/mol, XLogP of 0.81, 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-dipropylpyrimidine-4,6-diamine is sourced from PubChem (CID 23274327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).