4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine

C12H18N6 — CID 115263775

IUPAC4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(NCc2ccc[nH]2)ncn1
InChIInChI=1S/C12H18N6/c1-9(6-13)18-12-5-11(16-8-17-12)15-7-10-3-2-4-14-10/h2-5,8-9,14H,6-7,13H2,1H3,(H2,15,16,17,18)
InChIKeyKQKLUBCLIUXUEL-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.18
Rot. Bonds6

About 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 115263775) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID115263775
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(NCc2ccc[nH]2)ncn1
InChIInChI=1S/C12H18N6/c1-9(6-13)18-12-5-11(16-8-17-12)15-7-10-3-2-4-14-10/h2-5,8-9,14H,6-7,13H2,1H3,(H2,15,16,17,18)
InChIKeyKQKLUBCLIUXUEL-UHFFFAOYSA-N
XLogP1.18
TPSA91.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 115264329
4-[[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]amino]butan-2-one
CID 115265111
methyl-[6-(1H-pyrrol-2-ylmethylamino)pyrimidin-4-yl]cyanamide
CID 115266088
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
6-N-ethyl-4-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 115265704
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
6-methyl-N-[2-(1H-pyrrol-2-yl)ethyl]pyrimidin-4-amine
CID 75483789
6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
CID 115263760
6-N-[(4-fluorophenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265801
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
2,3,3-trimethyl-N-(1H-pyrrol-2-ylmethyl)butan-1-amine
CID 83142379
6-N-[(3-methylphenyl)methyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265810

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine (CID 115263775) is 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine is CC(CN)Nc1cc(NCc2ccc[nH]2)ncn1.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is KQKLUBCLIUXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9(6-13)18-12-5-11(16-8-17-12)15-7-10-3-2-4-14-10/h2-5,8-9,14H,6-7,13H2,1H3,(H2,15,16,17,18).
What are the key properties of 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115263775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).