4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

C14H19N5 — CID 80847357

IUPAC4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)CCc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-16-12-10-13(18-14(15)17-12)19(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeySMTMNYMVDWYCHX-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.78
Rot. Bonds5

About 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine

4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (PubChem CID 80847357) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
PubChem CID80847357
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
SMILESCNc1cc(N(C)CCc2ccccc2)nc(N)n1
InChIInChI=1S/C14H19N5/c1-16-12-10-13(18-14(15)17-12)19(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18)
InChIKeySMTMNYMVDWYCHX-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-benzylamino]ethanol
CID 80822214
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-N-methyl-6-N-propyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4,6-triamine
CID 80773723
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
4-N-benzyl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80754280
2-N,4-N,1,6-tetramethyl-4-N-(2-phenylethyl)pyrimidin-1-ium-2,4-diamine bromide
CID 23169392
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
4-N,6-N-dimethyl-4-N-[(2-methylfuran-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80796098
6-hydrazinyl-4-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80899123
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 80820844
6-chloro-N-methyl-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 80547048
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine (CID 80847357) is 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is CNc1cc(N(C)CCc2ccccc2)nc(N)n1.
What is the InChIKey of 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
The InChIKey is SMTMNYMVDWYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-16-12-10-13(18-14(15)17-12)19(2)9-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H3,15,16,17,18).
What are the key properties of 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine?
4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine has a molecular weight of 257.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dimethyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80847357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).