N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine

C16H20N6 — CID 126887238

IUPACN-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ccc(C4CC4)nn3)CC2)ncn1
InChIInChI=1S/C16H20N6/c1-2-12(1)14-3-4-16(21-20-14)22-9-6-13(7-10-22)19-15-5-8-17-11-18-15/h3-5,8,11-13H,1-2,6-7,9-10H2,(H,17,18,19)
InChIKeyPAYFJBAHMLXTLO-UHFFFAOYSA-N
MW296.38 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887238) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887238
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC NameN-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESc1cc(NC2CCN(c3ccc(C4CC4)nn3)CC2)ncn1
InChIInChI=1S/C16H20N6/c1-2-12(1)14-3-4-16(21-20-14)22-9-6-13(7-10-22)19-15-5-8-17-11-18-15/h3-5,8,11-13H,1-2,6-7,9-10H2,(H,17,18,19)
InChIKeyPAYFJBAHMLXTLO-UHFFFAOYSA-N
XLogP2.22
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
N-[1-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887477
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208478
3-cyclopropyl-6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 122279677
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407
cyclopropyl-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122279215
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887226
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197
3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
CID 171327910
1-(6-cyclobutylpyridazin-3-yl)-N-methylpyrrolidin-3-amine
CID 116972984

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887238) is N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine is c1cc(NC2CCN(c3ccc(C4CC4)nn3)CC2)ncn1.
What is the InChIKey of N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is PAYFJBAHMLXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-2-12(1)14-3-4-16(21-20-14)22-9-6-13(7-10-22)19-15-5-8-17-11-18-15/h3-5,8,11-13H,1-2,6-7,9-10H2,(H,17,18,19).
What are the key properties of N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 296.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).