2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

C16H21N5O — CID 129001291

IUPAC2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccncc1)c1nccc(NC2CCCOC2)n1
InChIInChI=1S/C16H21N5O/c1-21(11-13-4-7-17-8-5-13)16-18-9-6-15(20-16)19-14-3-2-10-22-12-14/h4-9,14H,2-3,10-12H2,1H3,(H,18,19,20)
InChIKeyOVVLIZNJQYUKRF-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.10
Rot. Bonds5

About 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine

2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 129001291) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID129001291
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCN(Cc1ccncc1)c1nccc(NC2CCCOC2)n1
InChIInChI=1S/C16H21N5O/c1-21(11-13-4-7-17-8-5-13)16-18-9-6-15(20-16)19-14-3-2-10-22-12-14/h4-9,14H,2-3,10-12H2,1H3,(H,18,19,20)
InChIKeyOVVLIZNJQYUKRF-UHFFFAOYSA-N
XLogP2.10
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine (CID 129001291) is 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is CN(Cc1ccncc1)c1nccc(NC2CCCOC2)n1.
What is the InChIKey of 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OVVLIZNJQYUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-21(11-13-4-7-17-8-5-13)16-18-9-6-15(20-16)19-14-3-2-10-22-12-14/h4-9,14H,2-3,10-12H2,1H3,(H,18,19,20).
What are the key properties of 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine?
2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-4-N-(oxan-3-yl)-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 129001291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).