6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine

C11H21N5 — CID 80775715

IUPAC6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCN(c1cc(NC)nc(N)n1)C(C)C
InChIInChI=1S/C11H21N5/c1-5-6-16(8(2)3)10-7-9(13-4)14-11(12)15-10/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyAXDWDAGYMXHRLK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.73
Rot. Bonds5

About 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine

6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80775715) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
PubChem CID80775715
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCN(c1cc(NC)nc(N)n1)C(C)C
InChIInChI=1S/C11H21N5/c1-5-6-16(8(2)3)10-7-9(13-4)14-11(12)15-10/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15)
InChIKeyAXDWDAGYMXHRLK-UHFFFAOYSA-N
XLogP1.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,2-dimethyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 80774664
2-(methoxymethyl)-6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-4,6-diamine
CID 113401338
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810065
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80775843
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine (CID 80775715) is 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine is CCCN(c1cc(NC)nc(N)n1)C(C)C.
What is the InChIKey of 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is AXDWDAGYMXHRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-5-6-16(8(2)3)10-7-9(13-4)14-11(12)15-10/h7-8H,5-6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine?
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 223.32 g/mol, XLogP of 1.73, 5 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-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80775715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).