6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

C21H25N5O2 — CID 135103951

IUPAC6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc(N)n1
InChIInChI=1S/C21H25N5O2/c1-13(2)28-20-10-19(25-21(22)26-20)24-18-12-27-11-15(18)9-14-7-8-23-17-6-4-3-5-16(14)17/h3-8,10,13,15,18H,9,11-12H2,1-2H3,(H3,22,24,25,26)/t15-,18-/m1/s1
InChIKeyRFMGCXBSAADNEA-CRAIPNDOSA-N
MW379.46 g/mol
LogP3.06
Rot. Bonds6

About 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine

6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 135103951) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID135103951
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc(N)n1
InChIInChI=1S/C21H25N5O2/c1-13(2)28-20-10-19(25-21(22)26-20)24-18-12-27-11-15(18)9-14-7-8-23-17-6-4-3-5-16(14)17/h3-8,10,13,15,18H,9,11-12H2,1-2H3,(H3,22,24,25,26)/t15-,18-/m1/s1
InChIKeyRFMGCXBSAADNEA-CRAIPNDOSA-N
XLogP3.06
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

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-methyl-2-propyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidin-4-amine
CID 135113317
3-methoxy-4-propan-2-yloxy-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134696924
2-propan-2-yloxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135116730
2-methyl-N-[2-oxo-2-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]ethyl]propanamide
CID 135108891
3-propan-2-yl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,2-oxazole-5-carboxamide
CID 134711744
1-[6-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyrimidin-4-yl]piperidin-4-ol
CID 135102157
1-ethyl-3-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-5-carboxamide
CID 134708750
5-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]-1,3-oxazole-4-carboxamide
CID 135107300
1-propan-2-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-3-carboxamide
CID 135113806
3-chloro-4-methoxy-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135087222
2-(cyclopropylamino)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135098225

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine (CID 135103951) is 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is CC(C)Oc1cc(N[C@@H]2COC[C@H]2Cc2ccnc3ccccc23)nc(N)n1.
What is the InChIKey of 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is RFMGCXBSAADNEA-CRAIPNDOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(2)28-20-10-19(25-21(22)26-20)24-18-12-27-11-15(18)9-14-7-8-23-17-6-4-3-5-16(14)17/h3-8,10,13,15,18H,9,11-12H2,1-2H3,(H3,22,24,25,26)/t15-,18-/m1/s1.
What are the key properties of 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine?
6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 379.46 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-4-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135103951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).