2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine

C15H23N7 — CID 50975206

IUPAC2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(CN(C)c2nc(N(C)C)nc(C)c2C)cn1
InChIInChI=1S/C15H23N7/c1-10-11(2)19-15(21(4)5)20-13(10)22(6)9-12-7-17-14(16-3)18-8-12/h7-8H,9H2,1-6H3,(H,16,17,18)
InChIKeyYGGFNQAWXYWYCB-UHFFFAOYSA-N
MW301.40 g/mol
LogP1.63
Rot. Bonds5

About 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine

2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 50975206) has the molecular formula C15H23N7 and a molecular weight of 301.40 g/mol. Its IUPAC name is 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine
PubChem CID50975206
Molecular FormulaC15H23N7
Molecular Weight301.40 g/mol
Exact Mass301.20
IUPAC Name2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(CN(C)c2nc(N(C)C)nc(C)c2C)cn1
InChIInChI=1S/C15H23N7/c1-10-11(2)19-15(21(4)5)20-13(10)22(6)9-12-7-17-14(16-3)18-8-12/h7-8H,9H2,1-6H3,(H,16,17,18)
InChIKeyYGGFNQAWXYWYCB-UHFFFAOYSA-N
XLogP1.63
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine (CID 50975206) is 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine is CNc1ncc(CN(C)c2nc(N(C)C)nc(C)c2C)cn1.
What is the InChIKey of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is YGGFNQAWXYWYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7/c1-10-11(2)19-15(21(4)5)20-13(10)22(6)9-12-7-17-14(16-3)18-8-12/h7-8H,9H2,1-6H3,(H,16,17,18).
What are the key properties of 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 301.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,5,6-pentamethyl-4-N-[[2-(methylamino)pyrimidin-5-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 50975206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).