6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine

C12H20ClN5 — CID 63022906

IUPAC6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
SMILESCC(CN1CCCCC1)Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H20ClN5/c1-9(7-18-5-3-2-4-6-18)17-12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyIVAVQXJWGHFNPF-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.00
Rot. Bonds4

About 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine

6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine (PubChem CID 63022906) has the molecular formula C12H20ClN5 and a molecular weight of 269.78 g/mol. Its IUPAC name is 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
PubChem CID63022906
Molecular FormulaC12H20ClN5
Molecular Weight269.78 g/mol
Exact Mass269.14
IUPAC Name6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
SMILESCC(CN1CCCCC1)Nc1ncnc(Cl)c1N
InChIInChI=1S/C12H20ClN5/c1-9(7-18-5-3-2-4-6-18)17-12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3,(H,15,16,17)
InChIKeyIVAVQXJWGHFNPF-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-(1-piperidin-1-ylpropan-2-yl)-5-propylpyrimidin-4-amine
CID 63729469
4-chloro-6-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrimidine-5-carbaldehyde
CID 66366326
6-chloro-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 63728295
6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
3-amino-2-(1-piperidin-1-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82816660
4-N-(1-pyrrolidin-1-ylpropan-2-yl)quinazoline-4,6-diamine
CID 64588497
6-hydrazinyl-5-propyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrimidin-4-amine
CID 80897473
6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
CID 63024122
3,6-dichloro-N-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazin-5-amine
CID 81036944
6-chloro-4,5-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 55168144
3,5-dichloro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61222948
2,5-dimethyl-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80801780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine (CID 63022906) is 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine is CC(CN1CCCCC1)Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine?
The InChIKey is IVAVQXJWGHFNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5/c1-9(7-18-5-3-2-4-6-18)17-12-10(14)11(13)15-8-16-12/h8-9H,2-7,14H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine?
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine has a molecular weight of 269.78 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 63022906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).