N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide

C20H32N4O2 — CID 50972806

IUPACN-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
SMILESCCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1
InChIInChI=1S/C20H32N4O2/c1-3-9-21-20-22-12-16(13-23-20)19-11-17(24-14(2)25)10-18(26-19)15-7-5-4-6-8-15/h12-13,15,17-19H,3-11H2,1-2H3,(H,24,25)(H,21,22,23)/t17-,18-,19+/m1/s1
InChIKeyZUZCEFNXXBSRKV-QRVBRYPASA-N
MW360.50 g/mol
LogP3.60
Rot. Bonds6

About N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide

N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide (PubChem CID 50972806) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
PubChem CID50972806
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide
SMILESCCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1
InChIInChI=1S/C20H32N4O2/c1-3-9-21-20-22-12-16(13-23-20)19-11-17(24-14(2)25)10-18(26-19)15-7-5-4-6-8-15/h12-13,15,17-19H,3-11H2,1-2H3,(H,24,25)(H,21,22,23)/t17-,18-,19+/m1/s1
InChIKeyZUZCEFNXXBSRKV-QRVBRYPASA-N
XLogP3.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide?
The IUPAC name of N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide (CID 50972806) is N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide?
The canonical SMILES for N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide is CCCNc1ncc([C@@H]2C[C@H](NC(C)=O)C[C@H](C3CCCCC3)O2)cn1.
What is the InChIKey of N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide?
The InChIKey is ZUZCEFNXXBSRKV-QRVBRYPASA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-9-21-20-22-12-16(13-23-20)19-11-17(24-14(2)25)10-18(26-19)15-7-5-4-6-8-15/h12-13,15,17-19H,3-11H2,1-2H3,(H,24,25)(H,21,22,23)/t17-,18-,19+/m1/s1.
What are the key properties of N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide?
N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,6S)-2-cyclohexyl-6-[2-(propylamino)pyrimidin-5-yl]oxan-4-yl]acetamide is sourced from PubChem (CID 50972806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).