4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H27N5 — CID 114506658

IUPAC4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CCN(C)CC1C
InChIInChI=1S/C15H27N5/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-6-7-20(5)8-10(12)3/h9-10,12H,6-8H2,1-5H3,(H3,16,17,18,19)
InChIKeyBXGHFUTYUMNWPX-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.24
Rot. Bonds3

About 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 114506658) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID114506658
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC1CCN(C)CC1C
InChIInChI=1S/C15H27N5/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-6-7-20(5)8-10(12)3/h9-10,12H,6-8H2,1-5H3,(H3,16,17,18,19)
InChIKeyBXGHFUTYUMNWPX-UHFFFAOYSA-N
XLogP2.24
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 114506710
4-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80982082
4-N-(2,3-dimethylcyclopentyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992914
4-N-(3,4-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992735
4-N-(1,3-dimethylpiperidin-4-yl)-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 114506573
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 114506749
2-N-(1,3-dimethylpiperidin-4-yl)-6-methylpyridine-2,5-diamine
CID 114503076
4-N-(1,3-dimethylpiperidin-4-yl)-5-ethylpyrimidine-4,6-diamine
CID 114506491
4-N-(2,2-dimethylcyclohexyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80992701
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 107165525
4-N-(1,3-dimethylpiperidin-4-yl)-5-propylpyrimidine-4,6-diamine
CID 114506446
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 114506658) is 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC1CCN(C)CC1C.
What is the InChIKey of 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is BXGHFUTYUMNWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-9(2)14-18-13(16)11(4)15(19-14)17-12-6-7-20(5)8-10(12)3/h9-10,12H,6-8H2,1-5H3,(H3,16,17,18,19).
What are the key properties of 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpiperidin-4-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 114506658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).