2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine

C19H27N5O — CID 75436375

IUPAC2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
SMILESCN(c1nc(N)c2ccccc2n1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C19H27N5O/c1-23(19-21-17-5-3-2-4-16(17)18(20)22-19)15-6-9-24(10-7-15)12-14-8-11-25-13-14/h2-5,14-15H,6-13H2,1H3,(H2,20,21,22)
InChIKeyLBTZWBSNANIRRG-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.15
Rot. Bonds4

About 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine

2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine (PubChem CID 75436375) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
PubChem CID75436375
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine
SMILESCN(c1nc(N)c2ccccc2n1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C19H27N5O/c1-23(19-21-17-5-3-2-4-16(17)18(20)22-19)15-6-9-24(10-7-15)12-14-8-11-25-13-14/h2-5,14-15H,6-13H2,1H3,(H2,20,21,22)
InChIKeyLBTZWBSNANIRRG-UHFFFAOYSA-N
XLogP2.15
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]-1H-benzimidazol-2-amine
CID 125135997
3-methyl-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinoxalin-2-amine
CID 133305164
N-(4-aminoquinazolin-2-yl)-N-methylhydroxylamine
CID 89468446
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857
2-ethyl-3-[[4-hydroxy-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]methyl]quinazolin-4-one
CID 92589259
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-thiophen-3-ylquinazoline
CID 133335933
1-[4-[[(3R)-oxolan-3-yl]methyl]piperazin-1-yl]phthalazine
CID 97329750
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-amine
CID 95901064
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-amine
CID 95901063
2-(oxolan-3-ylmethyl)-1,3-dihydroisoindol-4-amine
CID 62822959
4,6-dimethyl-1-(oxolan-3-ylmethyl)-1,5-diazocane
CID 62824730
2-(chloromethyl)-3-(oxolan-3-ylmethyl)quinazolin-4-one
CID 62823318

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine?
The IUPAC name of 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine (CID 75436375) is 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine?
The canonical SMILES for 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine is CN(c1nc(N)c2ccccc2n1)C1CCN(CC2CCOC2)CC1.
What is the InChIKey of 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine?
The InChIKey is LBTZWBSNANIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23(19-21-17-5-3-2-4-16(17)18(20)22-19)15-6-9-24(10-7-15)12-14-8-11-25-13-14/h2-5,14-15H,6-13H2,1H3,(H2,20,21,22).
What are the key properties of 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine?
2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine has a molecular weight of 341.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[1-(oxolan-3-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine is sourced from PubChem (CID 75436375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).