6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine

C22H30N10O — CID 154137801

IUPAC6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine
SMILESCN1CCN(c2ccc(C3(N)N=C(N4CCOCC4)C=C(c4cnc(N)nc4)N3)cn2)CC1
InChIInChI=1S/C22H30N10O/c1-30-4-6-31(7-5-30)19-3-2-17(15-25-19)22(24)28-18(16-13-26-21(23)27-14-16)12-20(29-22)32-8-10-33-11-9-32/h2-3,12-15,28H,4-11,24H2,1H3,(H2,23,26,27)
InChIKeySOJRMJWBLYJUEM-UHFFFAOYSA-N
MW450.55 g/mol
LogP-0.35
Rot. Bonds3

About 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine

6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine (PubChem CID 154137801) has the molecular formula C22H30N10O and a molecular weight of 450.55 g/mol. Its IUPAC name is 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine
PubChem CID154137801
Molecular FormulaC22H30N10O
Molecular Weight450.55 g/mol
Exact Mass450.26
IUPAC Name6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine
SMILESCN1CCN(c2ccc(C3(N)N=C(N4CCOCC4)C=C(c4cnc(N)nc4)N3)cn2)CC1
InChIInChI=1S/C22H30N10O/c1-30-4-6-31(7-5-30)19-3-2-17(15-25-19)22(24)28-18(16-13-26-21(23)27-14-16)12-20(29-22)32-8-10-33-11-9-32/h2-3,12-15,28H,4-11,24H2,1H3,(H2,23,26,27)
InChIKeySOJRMJWBLYJUEM-UHFFFAOYSA-N
XLogP-0.35
TPSA134.05 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The IUPAC name of 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine (CID 154137801) is 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine.
What is the SMILES notation for 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The canonical SMILES for 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine is CN1CCN(c2ccc(C3(N)N=C(N4CCOCC4)C=C(c4cnc(N)nc4)N3)cn2)CC1.
What is the InChIKey of 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine?
The InChIKey is SOJRMJWBLYJUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N10O/c1-30-4-6-31(7-5-30)19-3-2-17(15-25-19)22(24)28-18(16-13-26-21(23)27-14-16)12-20(29-22)32-8-10-33-11-9-32/h2-3,12-15,28H,4-11,24H2,1H3,(H2,23,26,27).
What are the key properties of 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine?
6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine has a molecular weight of 450.55 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopyrimidin-5-yl)-2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-4-morpholin-4-yl-1H-pyrimidin-2-amine is sourced from PubChem (CID 154137801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).