N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

C22H34N6O — CID 117089268

IUPACN-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1cnc(-c2ccc(N3CCOCC3)nc2)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C22H34N6O/c1-16(2)28(17(3)4)9-8-23-21-18(5)14-25-22(26-21)19-6-7-20(24-15-19)27-10-12-29-13-11-27/h6-7,14-17H,8-13H2,1-5H3,(H,23,25,26)
InChIKeyWOVPTJDERJTVAP-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.21
Rot. Bonds8

About N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 117089268) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID117089268
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC NameN-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCc1cnc(-c2ccc(N3CCOCC3)nc2)nc1NCCN(C(C)C)C(C)C
InChIInChI=1S/C22H34N6O/c1-16(2)28(17(3)4)9-8-23-21-18(5)14-25-22(26-21)19-6-7-20(24-15-19)27-10-12-29-13-11-27/h6-7,14-17H,8-13H2,1-5H3,(H,23,25,26)
InChIKeyWOVPTJDERJTVAP-UHFFFAOYSA-N
XLogP3.21
TPSA66.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 117089268) is N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is Cc1cnc(-c2ccc(N3CCOCC3)nc2)nc1NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is WOVPTJDERJTVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-16(2)28(17(3)4)9-8-23-21-18(5)14-25-22(26-21)19-6-7-20(24-15-19)27-10-12-29-13-11-27/h6-7,14-17H,8-13H2,1-5H3,(H,23,25,26).
What are the key properties of N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 398.56 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 117089268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).