(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine

C18H30N4O — CID 129345379

IUPAC(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine
SMILESCc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C18H30N4O/c1-13-10-14(21-16(20-13)22-8-6-7-9-22)12-19-15-11-17(2,3)23-18(15,4)5/h10,15,19H,6-9,11-12H2,1-5H3/t15-/m1/s1
InChIKeyKWUBFLLPIUSDFH-OAHLLOKOSA-N
MW318.47 g/mol
LogP2.82
Rot. Bonds4

About (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine

(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine (PubChem CID 129345379) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine
PubChem CID129345379
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine
SMILESCc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)nc(N2CCCC2)n1
InChIInChI=1S/C18H30N4O/c1-13-10-14(21-16(20-13)22-8-6-7-9-22)12-19-15-11-17(2,3)23-18(15,4)5/h10,15,19H,6-9,11-12H2,1-5H3/t15-/m1/s1
InChIKeyKWUBFLLPIUSDFH-OAHLLOKOSA-N
XLogP2.82
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine with MolForge

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Related Compounds

N-[[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 55114380
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114190
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
2-(1-adamantyl)-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]acetamide
CID 122352440
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122352828
2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
1-(3,5-dimethoxyphenyl)-3-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 122352279
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
2-methoxy-6-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]pyrimidin-4-amine
CID 154745874
N-methyl-1-[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 62742082
7-methyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 139009619

Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine?
The IUPAC name of (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine (CID 129345379) is (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine?
The canonical SMILES for (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine is Cc1cc(CN[C@@H]2CC(C)(C)OC2(C)C)nc(N2CCCC2)n1.
What is the InChIKey of (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine?
The InChIKey is KWUBFLLPIUSDFH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H30N4O/c1-13-10-14(21-16(20-13)22-8-6-7-9-22)12-19-15-11-17(2,3)23-18(15,4)5/h10,15,19H,6-9,11-12H2,1-5H3/t15-/m1/s1.
What are the key properties of (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine?
(3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine has a molecular weight of 318.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,5,5-tetramethyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 129345379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).