4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

C19H31N5O — CID 56882461

IUPAC4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3
InChIKeyXIVJJKUUPHSUJM-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.41
Rot. Bonds4

About 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (PubChem CID 56882461) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
PubChem CID56882461
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3
InChIKeyXIVJJKUUPHSUJM-UHFFFAOYSA-N
XLogP1.41
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4aR,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 66740470
4-[(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 66741667
4-N-butyl-6-methyl-5-(3-morpholin-4-ylpropyl)pyrimidine-2,4-diamine
CID 135271014
4-N-butyl-6-methyl-5-(4-morpholin-4-ylbutyl)pyrimidine-2,4-diamine
CID 135271039
(3R)-N-(6-propan-2-ylpyrimidin-4-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-amine
CID 137633214
4-(2-Oxo-2-{4-[6-(1-pyrrolidinyl)-4-pyrimidinyl]-1-piperidinyl}ethyl)morpholine
CID 70708382
[2-Isobutoxy-6-(3-methyl-butyl)-pyrimidin-4-yl]-isobutylamine
CID 25129168
4-[2-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]morpholine;hydrochloride
CID 73353508
6-ethyl-2-(4-morpholinyl)-N-(3,3,3-trifluoropropyl)-4-pyrimidinamine
CID 39767354
N-ethyl-N-methyl-2-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 46050203
N-(tert-butyl)-6-ethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 50977646
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (CID 56882461) is 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is Cc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The InChIKey is XIVJJKUUPHSUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3.
What are the key properties of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine has a molecular weight of 345.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56882461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).