4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C15H29N5 — CID 80956669

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C)(C)CN(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H29N5/c1-11(2)14-18-12(16-5)8-13(19-14)17-9-15(3,4)10-20(6)7/h8,11H,9-10H2,1-7H3,(H2,16,17,18,19)
InChIKeyYRYVJGNXGHHFIH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.64
Rot. Bonds7

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80956669) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80956669
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1cc(NCC(C)(C)CN(C)C)nc(C(C)C)n1
InChIInChI=1S/C15H29N5/c1-11(2)14-18-12(16-5)8-13(19-14)17-9-15(3,4)10-20(6)7/h8,11H,9-10H2,1-7H3,(H2,16,17,18,19)
InChIKeyYRYVJGNXGHHFIH-UHFFFAOYSA-N
XLogP2.64
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80956669) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is CNc1cc(NCC(C)(C)CN(C)C)nc(C(C)C)n1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YRYVJGNXGHHFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-11(2)14-18-12(16-5)8-13(19-14)17-9-15(3,4)10-20(6)7/h8,11H,9-10H2,1-7H3,(H2,16,17,18,19).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80956669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).