4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine

C12H16N6 — CID 115263744

IUPAC4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C12H16N6/c1-9(7-13)17-11-6-12(16-8-15-11)18-10-2-4-14-5-3-10/h2-6,8-9H,7,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyIHQHFQSVPSYDPO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.37
Rot. Bonds5

About 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine

4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine (PubChem CID 115263744) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
PubChem CID115263744
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
SMILESCC(CN)Nc1cc(Nc2ccncc2)ncn1
InChIInChI=1S/C12H16N6/c1-9(7-13)17-11-6-12(16-8-15-11)18-10-2-4-14-5-3-10/h2-6,8-9H,7,13H2,1H3,(H2,14,15,16,17,18)
InChIKeyIHQHFQSVPSYDPO-UHFFFAOYSA-N
XLogP1.37
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-ethyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115265643
2-[[6-(pyridin-4-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115264796
4-N-propan-2-yl-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112854627
6-(1-aminopropan-2-ylamino)pyrimidine-4-carbonitrile
CID 130551438
4-N-butan-2-yl-6-N-[4-(diethylamino)phenyl]pyrimidine-4,6-diamine
CID 112855591
[6-(pyridin-4-ylamino)pyrimidin-4-yl]methanediol
CID 129090569
4-N-(1-aminopropan-2-yl)-6-N-(1H-pyrrol-2-ylmethyl)pyrimidine-4,6-diamine
CID 115263775
4-N-(3-ethylsulfonylphenyl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 159359296
3-N-pyrimidin-4-ylbutane-1,3-diamine
CID 83178912
6-N-(2-aminopropyl)-2-methyl-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 115266355
4-N-butan-2-yl-6-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112855599
6-N-(2-methylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112855389

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine (CID 115263744) is 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine is CC(CN)Nc1cc(Nc2ccncc2)ncn1.
What is the InChIKey of 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
The InChIKey is IHQHFQSVPSYDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-9(7-13)17-11-6-12(16-8-15-11)18-10-2-4-14-5-3-10/h2-6,8-9H,7,13H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine?
4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-aminopropan-2-yl)-6-N-pyridin-4-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115263744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).