N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

C17H22N6O — CID 126888273

IUPACN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C17H22N6O/c1-24-16-10-14(19-11-20-16)21-13-5-8-23(9-6-13)15-4-7-18-17(22-15)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,19,20,21)
InChIKeyBTVULEJOHDONPM-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.23
Rot. Bonds5

About N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine

N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (PubChem CID 126888273) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
PubChem CID126888273
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCN(c3ccnc(C4CC4)n3)CC2)ncn1
InChIInChI=1S/C17H22N6O/c1-24-16-10-14(19-11-20-16)21-13-5-8-23(9-6-13)15-4-7-18-17(22-15)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,19,20,21)
InChIKeyBTVULEJOHDONPM-UHFFFAOYSA-N
XLogP2.23
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-methoxy-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171993855
N-[1-[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]-6-methoxypyrimidin-4-amine
CID 171996361
6-methoxy-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888036
N-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888085
N-[1-(2-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-4-methoxypyrimidin-2-amine
CID 171995695
N-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine
CID 126888037
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887829
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 172901754
6-methoxy-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888268
6-methoxy-N-(1-quinazolin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126888251
6-methoxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126888329

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine (CID 126888273) is N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is COc1cc(NC2CCN(c3ccnc(C4CC4)n3)CC2)ncn1.
What is the InChIKey of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
The InChIKey is BTVULEJOHDONPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-24-16-10-14(19-11-20-16)21-13-5-8-23(9-6-13)15-4-7-18-17(22-15)12-2-3-12/h4,7,10-13H,2-3,5-6,8-9H2,1H3,(H,19,20,21).
What are the key properties of N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine?
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 126888273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).