4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C19H27N5O — CID 126440371

IUPAC4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)Cc1ccccc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C19H27N5O/c1-23(2)11-14-6-4-5-7-15(14)12-24(3)18-10-17(21-19(20)22-18)16-8-9-25-13-16/h4-7,10,16H,8-9,11-13H2,1-3H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyXCBUBDCQZKZNBI-INIZCTEOSA-N
MW341.46 g/mol
LogP2.26
Rot. Bonds6

About 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126440371) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126440371
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCN(C)Cc1ccccc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1
InChIInChI=1S/C19H27N5O/c1-23(2)11-14-6-4-5-7-15(14)12-24(3)18-10-17(21-19(20)22-18)16-8-9-25-13-16/h4-7,10,16H,8-9,11-13H2,1-3H3,(H2,20,21,22)/t16-/m0/s1
InChIKeyXCBUBDCQZKZNBI-INIZCTEOSA-N
XLogP2.26
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126440371) is 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is CN(C)Cc1ccccc1CN(C)c1cc([C@H]2CCOC2)nc(N)n1.
What is the InChIKey of 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is XCBUBDCQZKZNBI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(2)11-14-6-4-5-7-15(14)12-24(3)18-10-17(21-19(20)22-18)16-8-9-25-13-16/h4-7,10,16H,8-9,11-13H2,1-3H3,(H2,20,21,22)/t16-/m0/s1.
What are the key properties of 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-N-methyl-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126440371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).