N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C16H26N4O — CID 126429146

IUPACN,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@H]2CCOC2)cc(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12-17-15(13-6-9-21-11-13)10-16(18-12)20(3)14-4-7-19(2)8-5-14/h10,13-14H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyIGBJXGHNVMLNFB-ZDUSSCGKSA-N
MW290.41 g/mol
LogP1.82
Rot. Bonds3

About N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126429146) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID126429146
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nc([C@H]2CCOC2)cc(N(C)C2CCN(C)CC2)n1
InChIInChI=1S/C16H26N4O/c1-12-17-15(13-6-9-21-11-13)10-16(18-12)20(3)14-4-7-19(2)8-5-14/h10,13-14H,4-9,11H2,1-3H3/t13-/m0/s1
InChIKeyIGBJXGHNVMLNFB-ZDUSSCGKSA-N
XLogP1.82
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine with MolForge

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Related Compounds

1-(2-methyl-6-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72911423
4,6-Dimethyl-2-[1-(oxan-4-yl)pyrrolidin-3-yl]pyrimidine
CID 110271060
N-ethyl-2-methyl-6-piperidin-4-yl-N-(tetrahydro-2H-pyran-4-ylmethyl)pyrimidin-4-amine
CID 56704383
4-{2-Methyl-6-[1-(4-methyl-3-penten-1-yl)-4-piperidinyl]-4-pyrimidinyl}morpholine
CID 56904542
[(3R*,4R*)-4-[(4-ethylpiperazin-1-yl)methyl]-1-(6-isopropyl-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 72888560
2-methyl-N-[4-(4-methylpiperazin-1-yl)oxolan-3-yl]-6-piperidin-4-ylpyrimidin-4-amine
CID 76406192
6-(trans-3-aminocyclobutyl)-2-methyl-N-[1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl]pyrimidin-4-amine
CID 91777860
3-(6-{4-[2-(Dimethylamino)ethyl]piperazin-1-yl}-2-methylpyrimidin-4-yl)cyclobutanol
CID 91783406
[(3S)-1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]-3-methylpiperidin-3-yl]methanol
CID 95122373
N,2-dimethyl-N-[(2S)-2-morpholin-4-ylpropyl]-6-propan-2-ylpyrimidin-4-amine
CID 95124686
4-ethyl-N,N-dimethyl-6-[4-[[(2R)-2-methyloxolan-2-yl]methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 97271688
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125169943

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 126429146) is N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is Cc1nc([C@H]2CCOC2)cc(N(C)C2CCN(C)CC2)n1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is IGBJXGHNVMLNFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-17-15(13-6-9-21-11-13)10-16(18-12)20(3)14-4-7-19(2)8-5-14/h10,13-14H,4-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 290.41 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpiperidin-4-yl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126429146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).