4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

C15H27N5 — CID 80957454

IUPAC4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CCCN(C)C2)nc(C(C)C)n1
InChIInChI=1S/C15H27N5/c1-11(2)15-17-13(16-3)9-14(18-15)20(5)12-7-6-8-19(4)10-12/h9,11-12H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyNHZOXTADSKYBAQ-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.17
Rot. Bonds4

About 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80957454) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80957454
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)C2CCCN(C)C2)nc(C(C)C)n1
InChIInChI=1S/C15H27N5/c1-11(2)15-17-13(16-3)9-14(18-15)20(5)12-7-6-8-19(4)10-12/h9,11-12H,6-8,10H2,1-5H3,(H,16,17,18)
InChIKeyNHZOXTADSKYBAQ-UHFFFAOYSA-N
XLogP2.17
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80957454) is 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(N(C)C2CCCN(C)C2)nc(C(C)C)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NHZOXTADSKYBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)15-17-13(16-3)9-14(18-15)20(5)12-7-6-8-19(4)10-12/h9,11-12H,6-8,10H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-(1-methylpiperidin-3-yl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80957454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).