4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

C12H23N5 — CID 154137087

IUPAC4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCCC2)C=CN1
InChIInChI=1S/C12H23N5/c13-11-15-7-6-12(14,16-11)5-4-10-17-8-2-1-3-9-17/h6-7H,1-5,8-10,14H2,(H3,13,15,16)
InChIKeyWCEQPYFNSCALIE-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.34
Rot. Bonds4

About 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine

4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 154137087) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID154137087
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(CCCN2CCCCC2)C=CN1
InChIInChI=1S/C12H23N5/c13-11-15-7-6-12(14,16-11)5-4-10-17-8-2-1-3-9-17/h6-7H,1-5,8-10,14H2,(H3,13,15,16)
InChIKeyWCEQPYFNSCALIE-UHFFFAOYSA-N
XLogP0.34
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-pyrimidine-2,4-diamine
CID 142779629
3-piperidin-4-yl-4H-pyrimidin-2-amine
CID 56977113
4-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69052138
4-[2-[ethyl(methyl)amino]ethyl]-1H-pyrimidine-2,4-diamine
CID 142576060
4-(3-piperazin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 149162525
4-piperidin-3-yl-1H-pyrimidine-2,4-diamine
CID 152166767
4-ethyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152324885
4-(3-ethylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 152569151
4-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine
CID 152770704
4-(piperidin-4-ylmethyl)-1H-pyrimidine-2,4-diamine
CID 152780815
4-(4-methylpiperidin-4-yl)-1H-pyrimidine-2,4-diamine
CID 153525528
4-methyl-6-[3-(methylamino)piperidin-1-yl]-1H-pyrimidine-2,4-diamine
CID 153884651

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine (CID 154137087) is 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is NC1=NC(N)(CCCN2CCCCC2)C=CN1.
What is the InChIKey of 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is WCEQPYFNSCALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c13-11-15-7-6-12(14,16-11)5-4-10-17-8-2-1-3-9-17/h6-7H,1-5,8-10,14H2,(H3,13,15,16).
What are the key properties of 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine?
4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 154137087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).