3-piperidin-4-yl-4H-pyrimidin-2-amine

C9H16N4 — CID 56977113

IUPAC3-piperidin-4-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1C1CCNCC1
InChIInChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12)
InChIKeyWHHMJTYWTVLIHJ-UHFFFAOYSA-N
MW180.25 g/mol
LogP-0.12
Rot. Bonds1

About 3-piperidin-4-yl-4H-pyrimidin-2-amine

3-piperidin-4-yl-4H-pyrimidin-2-amine (PubChem CID 56977113) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-piperidin-4-yl-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name3-piperidin-4-yl-4H-pyrimidin-2-amine
PubChem CID56977113
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name3-piperidin-4-yl-4H-pyrimidin-2-amine
SMILESNC1=NC=CCN1C1CCNCC1
InChIInChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12)
InChIKeyWHHMJTYWTVLIHJ-UHFFFAOYSA-N
XLogP-0.12
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489955
1-(5-Ethyl-1,4-dihydropyrimidin-2-yl)piperidin-4-amine
CID 132002626
Ethane;2-piperidin-1-yl-1,4-dihydropyrimidine
CID 142973101
2-Piperidin-1-yl-1,4-dihydropyrimidine
CID 142973102
ethane;(2E,6E)-2-methyl-5-piperidin-4-yl-1,4,8,9-tetrahydro-1,3,5-triazonine
CID 144056585
N-[[[(1E)-buta-1,3-dienyl]-piperidin-4-ylamino]methyl]-N'-methylethanimidamide
CID 144056668
(2E,6E,8Z)-2-methyl-5-piperidin-4-yl-1,4-dihydro-1,3,5-triazonine
CID 144056692
N'-ethenyl-4-(methylamino)-N-methylidenepiperidine-1-carboximidamide
CID 144519605
1-(3-methyl-4H-pyrimidin-2-yl)piperidin-4-amine
CID 145307839
2-N-methyl-2-N-piperidin-4-yl-4-pyrrolidin-1-yl-1H-pyrimidine-2,4-diamine
CID 150469480
4-ethyl-2-N-methyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898678
2-N,4-N,4-trimethyl-2-N-piperidin-4-yl-1H-pyrimidine-2,4-diamine
CID 153898682

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The IUPAC name of 3-piperidin-4-yl-4H-pyrimidin-2-amine (CID 56977113) is 3-piperidin-4-yl-4H-pyrimidin-2-amine.
What is the SMILES notation for 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The canonical SMILES for 3-piperidin-4-yl-4H-pyrimidin-2-amine is NC1=NC=CCN1C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
The InChIKey is WHHMJTYWTVLIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c10-9-12-4-1-7-13(9)8-2-5-11-6-3-8/h1,4,8,11H,2-3,5-7H2,(H2,10,12).
What are the key properties of 3-piperidin-4-yl-4H-pyrimidin-2-amine?
3-piperidin-4-yl-4H-pyrimidin-2-amine has a molecular weight of 180.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-4H-pyrimidin-2-amine is sourced from PubChem (CID 56977113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).