6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine

C14H23N5O — CID 50953322

IUPAC6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCN(CC1CCCCO1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C14H23N5O/c1-19(9-11-4-2-3-7-20-11)13-8-12(16-10-5-6-10)17-14(15)18-13/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18)
InChIKeyYOTJGUMSASOXAO-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.64
Rot. Bonds5

About 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine

6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine (PubChem CID 50953322) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
PubChem CID50953322
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
SMILESCN(CC1CCCCO1)c1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C14H23N5O/c1-19(9-11-4-2-3-7-20-11)13-8-12(16-10-5-6-10)17-14(15)18-13/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18)
InChIKeyYOTJGUMSASOXAO-UHFFFAOYSA-N
XLogP1.64
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
4-N,6-N-dimethyl-2-methylsulfanyl-4-N-(oxan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80799509
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 62281474
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092
6-[(cyclopropylamino)methyl]-N-methyl-N-(oxan-2-ylmethyl)pyridazin-3-amine
CID 62281484
6-(2-aminoethyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 56718429
5-bromo-N,6-dimethyl-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 103915128
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 133271800
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine (CID 50953322) is 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine is CN(CC1CCCCO1)c1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine?
The InChIKey is YOTJGUMSASOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-19(9-11-4-2-3-7-20-11)13-8-12(16-10-5-6-10)17-14(15)18-13/h8,10-11H,2-7,9H2,1H3,(H3,15,16,17,18).
What are the key properties of 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine?
6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine has a molecular weight of 277.37 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 50953322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).