6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine

C15H27N5 — CID 80804448

IUPAC6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCN2CCCCC2)c1C(C)C
InChIInChI=1S/C15H27N5/c1-12(2)13-14(16-3)18-11-19-15(13)17-7-10-20-8-5-4-6-9-20/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyUKWLAQMBDXIOKD-UHFFFAOYSA-N
MW277.42 g/mol
LogP2.54
Rot. Bonds6

About 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine

6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80804448) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80804448
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCN2CCCCC2)c1C(C)C
InChIInChI=1S/C15H27N5/c1-12(2)13-14(16-3)18-11-19-15(13)17-7-10-20-8-5-4-6-9-20/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19)
InChIKeyUKWLAQMBDXIOKD-UHFFFAOYSA-N
XLogP2.54
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
6-N-methyl-4-N-(2-piperidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80805097
6-N-methyl-4-N-(3-methylsulfinylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 113488418
4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777700
6-N-methyl-5-propan-2-yl-4-N-(1-propylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 80783092
N-[2-(azepan-1-yl)ethyl]-6-ethoxy-5-methylpyrimidin-4-amine
CID 66326640
6-N-ethyl-4-N-methyl-5-propan-2-yl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80814287
2-N,4-N-bis(2-piperidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 173305313
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine (CID 80804448) is 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCCN2CCCCC2)c1C(C)C.
What is the InChIKey of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UKWLAQMBDXIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-12(2)13-14(16-3)18-11-19-15(13)17-7-10-20-8-5-4-6-9-20/h11-12H,4-10H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 277.42 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80804448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).