7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine

C19H28N4O2S — CID 130372462

IUPAC7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine
SMILESCC(C)OC1=CCC=C(N)C(Sc2cc(N3CCO[C@H](C)C3)ncn2)C1
InChIInChI=1S/C19H28N4O2S/c1-13(2)25-15-5-4-6-16(20)17(9-15)26-19-10-18(21-12-22-19)23-7-8-24-14(3)11-23/h5-6,10,12-14,17H,4,7-9,11,20H2,1-3H3/t14-,17?/m1/s1
InChIKeyDXNIZPDFJLIDOA-XPCCGILXSA-N
MW376.53 g/mol
LogP3.11
Rot. Bonds5

About 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine

7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine (PubChem CID 130372462) has the molecular formula C19H28N4O2S and a molecular weight of 376.53 g/mol. Its IUPAC name is 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine.

Molecular Properties

Compound Name7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine
PubChem CID130372462
Molecular FormulaC19H28N4O2S
Molecular Weight376.53 g/mol
Exact Mass376.19
IUPAC Name7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine
SMILESCC(C)OC1=CCC=C(N)C(Sc2cc(N3CCO[C@H](C)C3)ncn2)C1
InChIInChI=1S/C19H28N4O2S/c1-13(2)25-15-5-4-6-16(20)17(9-15)26-19-10-18(21-12-22-19)23-7-8-24-14(3)11-23/h5-6,10,12-14,17H,4,7-9,11,20H2,1-3H3/t14-,17?/m1/s1
InChIKeyDXNIZPDFJLIDOA-XPCCGILXSA-N
XLogP3.11
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-amine
CID 78929987
2-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidine-4-carboximidoyl]-4-propan-2-yloxyaniline
CID 130372406
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
N-ethyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764965
[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]-(3-propan-2-yloxyphenyl)methanimine
CID 144697206
2-methyl-4-[6-(5-propan-2-yloxy-1H-pyrazolo[3,4-c]pyridin-3-yl)pyrimidin-4-yl]morpholine
CID 123967588
(2R)-4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-2-methylmorpholine
CID 157362787
2-methyl-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80764461
1-[4-(6-methoxypyrimidin-4-yl)morpholin-2-yl]ethanamine
CID 115315845
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
2-(methoxymethyl)-6-(2-methylmorpholin-4-yl)pyrimidin-4-amine
CID 113401273
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 66331198

Frequently Asked Questions

What is the IUPAC name of 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine?
The IUPAC name of 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine (CID 130372462) is 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine.
What is the SMILES notation for 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine?
The canonical SMILES for 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine is CC(C)OC1=CCC=C(N)C(Sc2cc(N3CCO[C@H](C)C3)ncn2)C1.
What is the InChIKey of 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine?
The InChIKey is DXNIZPDFJLIDOA-XPCCGILXSA-N. The full InChI is InChI=1S/C19H28N4O2S/c1-13(2)25-15-5-4-6-16(20)17(9-15)26-19-10-18(21-12-22-19)23-7-8-24-14(3)11-23/h5-6,10,12-14,17H,4,7-9,11,20H2,1-3H3/t14-,17?/m1/s1.
What are the key properties of 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine?
7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine has a molecular weight of 376.53 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[(2R)-2-methylmorpholin-4-yl]pyrimidin-4-yl]sulfanyl-5-propan-2-yloxycyclohepta-1,4-dien-1-amine is sourced from PubChem (CID 130372462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).