2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine

C12H20N4O — CID 97319690

IUPAC2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C[C@H]2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-15(2)12-13-6-4-11(14-12)16(3)8-10-5-7-17-9-10/h4,6,10H,5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyXAOSQFYVWKHHPT-SNVBAGLBSA-N
MW236.32 g/mol
LogP1.02
Rot. Bonds4

About 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine

2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine (PubChem CID 97319690) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
PubChem CID97319690
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(N(C)C[C@H]2CCOC2)n1
InChIInChI=1S/C12H20N4O/c1-15(2)12-13-6-4-11(14-12)16(3)8-10-5-7-17-9-10/h4,6,10H,5,7-9H2,1-3H3/t10-/m1/s1
InChIKeyXAOSQFYVWKHHPT-SNVBAGLBSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine (CID 97319690) is 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine is CN(C)c1nccc(N(C)C[C@H]2CCOC2)n1.
What is the InChIKey of 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
The InChIKey is XAOSQFYVWKHHPT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(2)12-13-6-4-11(14-12)16(3)8-10-5-7-17-9-10/h4,6,10H,5,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine?
2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-trimethyl-4-N-[[(3R)-oxolan-3-yl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 97319690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).