4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine

C13H20N4 — CID 110250155

IUPAC4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(CC3CC3)C2)n1
InChIInChI=1S/C13H20N4/c14-13-15-6-5-12(16-13)11-2-1-7-17(9-11)8-10-3-4-10/h5-6,10-11H,1-4,7-9H2,(H2,14,15,16)
InChIKeyBACIVSYUCIPNOF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.65
Rot. Bonds3

About 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine

4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine (PubChem CID 110250155) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine
PubChem CID110250155
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(C2CCCN(CC3CC3)C2)n1
InChIInChI=1S/C13H20N4/c14-13-15-6-5-12(16-13)11-2-1-7-17(9-11)8-10-3-4-10/h5-6,10-11H,1-4,7-9H2,(H2,14,15,16)
InChIKeyBACIVSYUCIPNOF-UHFFFAOYSA-N
XLogP1.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
4-tert-Butylpyrimidin-2-amine
CID 12450631
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681476
4-(3-Methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 71551636
4-N-[2-[(2-aminopyrimidin-4-yl)amino]ethyl]-4-N-methyl-6-(3-methylbutyl)pyrimidine-2,4-diamine
CID 71681807
4-Tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 25128825
4-Cyclopropylpyrimidin-2-amine
CID 3299593
4-Cyclopropyl-5-(pyridin-4-yl)pyrimidin-2-amine
CID 25915085
N-methyl-N-{[2-(methylamino)pyrimidin-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56877238
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-Isopropyl-N,N-dimethylpyrimidin-2-amine
CID 10820941
6-Methyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-2-ylamine
CID 12450594

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine (CID 110250155) is 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine is Nc1nccc(C2CCCN(CC3CC3)C2)n1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine?
The InChIKey is BACIVSYUCIPNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-13-15-6-5-12(16-13)11-2-1-7-17(9-11)8-10-3-4-10/h5-6,10-11H,1-4,7-9H2,(H2,14,15,16).
What are the key properties of 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine?
4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)piperidin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 110250155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).