3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide

C20H23ClN10O — CID 118873285

IUPAC3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1
InChIInChI=1S/C20H23ClN10O/c1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
InChIKeyNJDCTLINWXDFST-UHFFFAOYSA-N
MW454.93 g/mol
LogP1.72
Rot. Bonds4

About 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide

3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide (PubChem CID 118873285) has the molecular formula C20H23ClN10O and a molecular weight of 454.93 g/mol. Its IUPAC name is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
PubChem CID118873285
Molecular FormulaC20H23ClN10O
Molecular Weight454.93 g/mol
Exact Mass454.17
IUPAC Name3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide
SMILESCC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1
InChIInChI=1S/C20H23ClN10O/c1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32)
InChIKeyNJDCTLINWXDFST-UHFFFAOYSA-N
XLogP1.72
TPSA174.85 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide (CID 118873285) is 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide is CC1(N)CCN(c2cccnc2NC(=O)c2nc(-c3nc(N)ncc3Cl)cnc2N)CC1.
What is the InChIKey of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
The InChIKey is NJDCTLINWXDFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN10O/c1-20(24)4-7-31(8-5-20)13-3-2-6-25-17(13)30-18(32)15-16(22)26-10-12(28-15)14-11(21)9-27-19(23)29-14/h2-3,6,9-10H,4-5,7-8,24H2,1H3,(H2,22,26)(H2,23,27,29)(H,25,30,32).
What are the key properties of 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide?
3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-amino-5-chloropyrimidin-4-yl)-N-[3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118873285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).