6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

C17H24N6 — CID 126887829

IUPAC6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeyMVALDXFZGVJAMY-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.78
Rot. Bonds4

About 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine

6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887829) has the molecular formula C17H24N6 and a molecular weight of 312.42 g/mol. Its IUPAC name is 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887829
Molecular FormulaC17H24N6
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1
InChIInChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21)
InChIKeyMVALDXFZGVJAMY-UHFFFAOYSA-N
XLogP2.78
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 117817172
CID 117817172
CID 71681807
CID 71681807
CID 162669973
CID 162669973
CID 90466270
CID 90466270
CID 117817165
CID 117817165
CID 117817187
CID 117817187
CID 117817463
CID 117817463
CID 117817569
CID 117817569
CID 117817589
CID 117817589
CID 4728071
CID 4728071
CID 54592599
CID 54592599
CID 18364978
CID 18364978

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887829) is 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is Cc1cc(NC2CCN(c3ccnc(C(C)C)n3)CC2)ncn1.
What is the InChIKey of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is MVALDXFZGVJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6/c1-12(2)17-18-7-4-16(22-17)23-8-5-14(6-9-23)21-15-10-13(3)19-11-20-15/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H,19,20,21).
What are the key properties of 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine?
6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).