2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile

C18H22N6 — CID 95553294

IUPAC2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile
SMILESCCNc1ncc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cn1
InChIInChI=1S/C18H22N6/c1-5-21-17-22-8-11(9-23-17)14-10(2)15(13-6-18(13,3)4)24-16(20)12(14)7-19/h8-9,13H,5-6H2,1-4H3,(H2,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeyONNXUSMGZQTOKV-ZDUSSCGKSA-N
MW322.42 g/mol
LogP3.25
Rot. Bonds4

About 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile

2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile (PubChem CID 95553294) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile
PubChem CID95553294
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile
SMILESCCNc1ncc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cn1
InChIInChI=1S/C18H22N6/c1-5-21-17-22-8-11(9-23-17)14-10(2)15(13-6-18(13,3)4)24-16(20)12(14)7-19/h8-9,13H,5-6H2,1-4H3,(H2,20,24)(H,21,22,23)/t13-/m0/s1
InChIKeyONNXUSMGZQTOKV-ZDUSSCGKSA-N
XLogP3.25
TPSA100.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile (CID 95553294) is 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile is CCNc1ncc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cn1.
What is the InChIKey of 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile?
The InChIKey is ONNXUSMGZQTOKV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6/c1-5-21-17-22-8-11(9-23-17)14-10(2)15(13-6-18(13,3)4)24-16(20)12(14)7-19/h8-9,13H,5-6H2,1-4H3,(H2,20,24)(H,21,22,23)/t13-/m0/s1.
What are the key properties of 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile?
2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile has a molecular weight of 322.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(1R)-2,2-dimethylcyclopropyl]-4-[2-(ethylamino)pyrimidin-5-yl]-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 95553294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).