6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine

C12H18N6 — CID 115263760

IUPAC6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(N(C)c2cc[nH]c2)ncn1
InChIInChI=1S/C12H18N6/c1-9(6-13)17-11-5-12(16-8-15-11)18(2)10-3-4-14-7-10/h3-5,7-9,14H,6,13H2,1-2H3,(H,15,16,17)
InChIKeyAWYBMDQVLLFNHX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.33
Rot. Bonds5

About 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine

6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine (PubChem CID 115263760) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
PubChem CID115263760
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(N(C)c2cc[nH]c2)ncn1
InChIInChI=1S/C12H18N6/c1-9(6-13)17-11-5-12(16-8-15-11)18(2)10-3-4-14-7-10/h3-5,7-9,14H,6,13H2,1-2H3,(H,15,16,17)
InChIKeyAWYBMDQVLLFNHX-UHFFFAOYSA-N
XLogP1.33
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine with MolForge

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Related Compounds

4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
CID 115263775
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115263744
2-[(6-hydrazinylpyrimidin-4-yl)amino]propan-1-ol
CID 80906308
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
4-N-methyl-4-N-(2-methylphenyl)-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265781
6-hydrazinyl-N-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 80932214
4-N-(2-amino-2-methylpropyl)-4-N-methyl-6-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine
CID 115265936
4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265789
6-hydrazinyl-N-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 80908091
4-N-methyl-4-N,6-N-di(propan-2-yl)pyrimidine-4,6-diamine
CID 115265770
N-[4-(aminomethyl)phenyl]-N-methyl-1H-pyrrol-3-amine
CID 117041628
4-N,6-N-dimethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265479

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine (CID 115263760) is 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine is CC(CN)Nc1cc(N(C)c2cc[nH]c2)ncn1.
What is the InChIKey of 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
The InChIKey is AWYBMDQVLLFNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-9(6-13)17-11-5-12(16-8-15-11)18(2)10-3-4-14-7-10/h3-5,7-9,14H,6,13H2,1-2H3,(H,15,16,17).
What are the key properties of 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine?
6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-aminopropan-2-yl)-4-N-methyl-4-N-(1H-pyrrol-3-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 115263760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).