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

C16H29N5 — CID 107165525

IUPAC4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H29N5/c1-11(2)14-19-13(17)12(3)15(20-14)18-10-16(4)6-8-21(5)9-7-16/h11H,6-10H2,1-5H3,(H3,17,18,19,20)
InChIKeySTSUEWJZLNJSMF-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.63
Rot. Bonds4

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

4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 107165525) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID107165525
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC Name4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NCC1(C)CCN(C)CC1
InChIInChI=1S/C16H29N5/c1-11(2)14-19-13(17)12(3)15(20-14)18-10-16(4)6-8-21(5)9-7-16/h11H,6-10H2,1-5H3,(H3,17,18,19,20)
InChIKeySTSUEWJZLNJSMF-UHFFFAOYSA-N
XLogP2.63
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 107165525) is 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NCC1(C)CCN(C)CC1.
What is the InChIKey of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is STSUEWJZLNJSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11(2)14-19-13(17)12(3)15(20-14)18-10-16(4)6-8-21(5)9-7-16/h11H,6-10H2,1-5H3,(H3,17,18,19,20).
What are the key properties of 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 291.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 107165525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).