N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine

C19H33N5O — CID 95046435

IUPACN,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C[C@H]1CCCO1)c1cc(C2CCN(C)CC2)ncn1
InChIInChI=1S/C19H33N5O/c1-22(2)10-11-24(14-17-5-4-12-25-17)19-13-18(20-15-21-19)16-6-8-23(3)9-7-16/h13,15-17H,4-12,14H2,1-3H3/t17-/m1/s1
InChIKeyUSTNXCGEMFDYJB-QGZVFWFLSA-N
MW347.51 g/mol
LogP1.83
Rot. Bonds7

About N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine

N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 95046435) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID95046435
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC NameN,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCN(C)CCN(C[C@H]1CCCO1)c1cc(C2CCN(C)CC2)ncn1
InChIInChI=1S/C19H33N5O/c1-22(2)10-11-24(14-17-5-4-12-25-17)19-13-18(20-15-21-19)16-6-8-23(3)9-7-16/h13,15-17H,4-12,14H2,1-3H3/t17-/m1/s1
InChIKeyUSTNXCGEMFDYJB-QGZVFWFLSA-N
XLogP1.83
TPSA44.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
6-fluoro-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 115416622
N,N-dimethyl-1-[(2S)-oxolan-2-yl]methanamine
CID 89026085
3-[(6-cyclopropylpyrimidin-4-yl)-methylamino]propanenitrile
CID 126848090
N-[2-(dimethylamino)ethyl]-3-hydroxy-5-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 154739069
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 61435511
6-methoxy-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyrimidin-4-amine
CID 95147920
4-cyclopentyl-N-methyl-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 56861658
6-chloro-4-N-[[(2S)-oxolan-2-yl]methyl]-4-N-[[(2R)-oxolan-2-yl]methyl]pyrimidine-2,4-diamine
CID 94431568
6-(dipropylamino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343942
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine (CID 95046435) is N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine is CN(C)CCN(C[C@H]1CCCO1)c1cc(C2CCN(C)CC2)ncn1.
What is the InChIKey of N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is USTNXCGEMFDYJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H33N5O/c1-22(2)10-11-24(14-17-5-4-12-25-17)19-13-18(20-15-21-19)16-6-8-23(3)9-7-16/h13,15-17H,4-12,14H2,1-3H3/t17-/m1/s1.
What are the key properties of N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine?
N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 347.51 g/mol, XLogP of 1.83, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 95046435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).