(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride

C18H21Cl2N5O2 — CID 135335613

IUPAC(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl.Cl
InChIInChI=1S/C18H20ClN5O2.ClH/c1-25-15-8-16(26-2)13(19)7-12(15)14-10-24-6-4-17(22-18(24)21-14)23-5-3-11(20)9-23;/h4,6-8,10-11H,3,5,9,20H2,1-2H3;1H/t11-;/m1./s1
InChIKeyCISCWJKLDUZZIZ-RFVHGSKJSA-N
MW410.31 g/mol
LogP3.03
Rot. Bonds4

About (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride

(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride (PubChem CID 135335613) has the molecular formula C18H21Cl2N5O2 and a molecular weight of 410.31 g/mol. Its IUPAC name is (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
PubChem CID135335613
Molecular FormulaC18H21Cl2N5O2
Molecular Weight410.31 g/mol
Exact Mass409.11
IUPAC Name(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl.Cl
InChIInChI=1S/C18H20ClN5O2.ClH/c1-25-15-8-16(26-2)13(19)7-12(15)14-10-24-6-4-17(22-18(24)21-14)23-5-3-11(20)9-23;/h4,6-8,10-11H,3,5,9,20H2,1-2H3;1H/t11-;/m1./s1
InChIKeyCISCWJKLDUZZIZ-RFVHGSKJSA-N
XLogP3.03
TPSA77.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride (CID 135335613) is (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride is COc1cc(OC)c(-c2cn3ccc(N4CC[C@@H](N)C4)nc3n2)cc1Cl.Cl.
What is the InChIKey of (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is CISCWJKLDUZZIZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C18H20ClN5O2.ClH/c1-25-15-8-16(26-2)13(19)7-12(15)14-10-24-6-4-17(22-18(24)21-14)23-5-3-11(20)9-23;/h4,6-8,10-11H,3,5,9,20H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride?
(3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 410.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 135335613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).