6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

C22H26N4O — CID 135113317

IUPAC6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCCc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C22H26N4O/c1-3-6-21-24-15(2)11-22(26-21)25-20-14-27-13-17(20)12-16-9-10-23-19-8-5-4-7-18(16)19/h4-5,7-11,17,20H,3,6,12-14H2,1-2H3,(H,24,25,26)/t17-,20+/m1/s1
InChIKeyQMELZKUACNIHIV-XLIONFOSSA-N
MW362.48 g/mol
LogP3.96
Rot. Bonds6

About 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine

6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 135113317) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID135113317
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
SMILESCCCc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1
InChIInChI=1S/C22H26N4O/c1-3-6-21-24-15(2)11-22(26-21)25-20-14-27-13-17(20)12-16-9-10-23-19-8-5-4-7-18(16)19/h4-5,7-11,17,20H,3,6,12-14H2,1-2H3,(H,24,25,26)/t17-,20+/m1/s1
InChIKeyQMELZKUACNIHIV-XLIONFOSSA-N
XLogP3.96
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-propan-2-yl-6-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-4,6-diamine
CID 135090329
6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
CID 135103951
2-ethyl-5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 134712220
1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 135102157
N,N-dimethyl-1-[(3S,4R)-4-[(6-methyl-2-propylpyrimidin-4-yl)amino]oxolan-3-yl]methanesulfonamide
CID 135095881
1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
1-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine
CID 134713948
5-methyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-2H-triazole-4-carboxamide
CID 155917194
3-(3-methylpyrazol-1-yl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705697
1-ethyl-2-oxo-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyridine-4-carboxamide
CID 135098213
3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine (CID 135113317) is 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine is CCCc1nc(C)cc(N[C@H]2COC[C@H]2Cc2ccnc3ccccc23)n1.
What is the InChIKey of 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is QMELZKUACNIHIV-XLIONFOSSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-6-21-24-15(2)11-22(26-21)25-20-14-27-13-17(20)12-16-9-10-23-19-8-5-4-7-18(16)19/h4-5,7-11,17,20H,3,6,12-14H2,1-2H3,(H,24,25,26)/t17-,20+/m1/s1.
What are the key properties of 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine?
6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 362.48 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 135113317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).